4-[(Z)-2-cyano-3-oxidanyl-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(Z)-2-cyano-3-oxidanyl-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(Z)-2-cyano-3-hydroxy-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]prop-2-enoyl]benzonitrile CAS Name: 4-[(Z)-2-cyano-3-hydroxy-1-oxo-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-2-enyl]benzonitrile IUPAC Name: 4-[(Z)-2-cyano-3-hydroxy-3-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]prop-2-enoyl]benzonitrile Traditional Name: 4-[(Z)-2-cyano-3-hydroxy-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]acryloyl]benzonitrile Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=C(C#N)C(=O)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)/C(=C(\C#N)/C(=O)C3=CC=C(C=C3)C#N)/O

InChI

InChI=1S/C21H16N4O2S2/c1-12(2)25(15-7-8-17-18(9-15)29-21(28)24-17)20(27)16(11-23)19(26)14-5-3-13(10-22)4-6-14/h3-9,12,27H,1-2H3,(H,24,28)/b20-16-